1-aminopropane-1,2,3-triol

C3H9NO3 — CID 14877135

IUPAC1-aminopropane-1,2,3-triol
SMILESNC(O)C(O)CO
InChIInChI=1S/C3H9NO3/c4-3(7)2(6)1-5/h2-3,5-7H,1,4H2
InChIKeyMQDLKAADJTYKRH-UHFFFAOYSA-N
MW107.11 g/mol
LogP-2.38
Rot. Bonds2

About 1-aminopropane-1,2,3-triol

1-aminopropane-1,2,3-triol (PubChem CID 14877135) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is 1-aminopropane-1,2,3-triol.

Molecular Properties

Compound Name1-aminopropane-1,2,3-triol
PubChem CID14877135
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Name1-aminopropane-1,2,3-triol
SMILESNC(O)C(O)CO
InChIInChI=1S/C3H9NO3/c4-3(7)2(6)1-5/h2-3,5-7H,1,4H2
InChIKeyMQDLKAADJTYKRH-UHFFFAOYSA-N
XLogP-2.38
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1,2-propanediol
CID 73561
1-Amino-3-(aminooxy)propan-2-ol
CID 13273093
(S)1-Amino-3-aminooxy-propan-2-ol
CID 13273094
(R)1-Amino-3-aminooxy-propan-2-ol
CID 13273095
3-Amino-1,2-propanediol, (S)-
CID 440902
(2R)-3-aminopropane-1,2-diol
CID 6994409
1-Aminobutane-2,3-diol
CID 14325614
(2S)-3-aminopropane-1,2-diol hydrochloride
CID 53487907
(R)-3-aminopropane-1,2-diol hydrochloride
CID 132586878
4-Aminobutane-1,2,3-triol
CID 3021735
Rel-(2R,3S)-1,4-diaminobutane-2,3-diol
CID 11073400
1,4-Diaminobutane-2,3-diol
CID 4140858

Frequently Asked Questions

What is the IUPAC name of 1-aminopropane-1,2,3-triol?
The IUPAC name of 1-aminopropane-1,2,3-triol (CID 14877135) is 1-aminopropane-1,2,3-triol.
What is the SMILES notation for 1-aminopropane-1,2,3-triol?
The canonical SMILES for 1-aminopropane-1,2,3-triol is NC(O)C(O)CO.
What is the InChIKey of 1-aminopropane-1,2,3-triol?
The InChIKey is MQDLKAADJTYKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3/c4-3(7)2(6)1-5/h2-3,5-7H,1,4H2.
What are the key properties of 1-aminopropane-1,2,3-triol?
1-aminopropane-1,2,3-triol has a molecular weight of 107.11 g/mol, XLogP of -2.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropane-1,2,3-triol is sourced from PubChem (CID 14877135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).